SCHEMBL6798735

SCHEMBL6798735

CCOc1cc(-c2ccccc2)nn1CCOc1ccc(-c2ccccc2)cc1I

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.40
MDM2 Q00987 6/20 0.40
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
XDH P47989 1/20 0.35
ADORA1 P30542 1/20 0.35
HTT P42858 2/20 0.34
ADORA2A P29274 1/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6602658 0.87 HPGD (0.42) TP53MDM2ALDH1A1L3MBTL1LMNA
SCHEMBL6804874 0.87 L3MBTL1 (0.40) TP53MDM2ALDH1A1L3MBTL1MEN1
SCHEMBL6601551 0.83 LTA4H (0.45) TP53ALDH1A1SMN1; SMN2PPARGPPARA
SCHEMBL6805998 0.83 HPGD (0.41) TP53MDM2ALDH1A1L3MBTL1LMNA
SCHEMBL6604189 0.81 MAPT (0.43) ALDH1A1L3MBTL1MEN1LMNAKMT2A
SCHEMBL6602333 0.81 HPGD (0.38) TP53MDM2L3MBTL1SMN1; SMN2MAPT
SCHEMBL6604163 0.80 S1PR4 (0.40) TP53MDM2ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6618274 0.80 HTR1B (0.42) TP53MDM2ALDH1A1L3MBTL1MEN1
SCHEMBL6605678 0.80 KMT2A (0.40) TP53MDM2ALDH1A1L3MBTL1MEN1
SCHEMBL6805954 0.80 MRGPRX4 (0.38) L3MBTL1MAPTPPARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION 2004-09-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders MKI67, CDK4, FLT4 TP53 35/4885MDM2 1509/4885ALDH1A1 758/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.